N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C122H78N2O2 — CID 163563818

IUPACN,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc5ccccc5c34)cc2)cc1
InChIInChI=1S/C62H39NO.C60H39NO/c1-2-15-40(16-3-1)58-39-45-19-6-9-22-50(45)60-55-27-14-28-59(61(55)64-62(58)60)63(46-33-29-41(30-34-46)56-37-43-17-4-7-20-48(43)51-23-10-12-25-53(51)56)47-35-31-42(32-36-47)57-38-44-18-5-8-21-49(44)52-24-11-13-26-54(52)57;1-3-14-40(15-4-1)42-30-34-48(35-31-42)61(49-36-32-43(33-37-49)41-16-5-2-6-17-41)57-25-13-24-54-58-51-21-10-8-19-47(51)39-56(60(58)62-59(54)57)45-28-26-44(27-29-45)55-38-46-18-7-9-20-50(46)52-22-11-12-23-53(52)55/h1-39H;1-39H
InChIKeyFTMJSCWUOHEOPP-UHFFFAOYSA-N
MW1603.98 g/mol
LogP35.01
Rot. Bonds13

About N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 163563818) has the molecular formula C122H78N2O2 and a molecular weight of 1603.98 g/mol. Its IUPAC name is N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID163563818
Molecular FormulaC122H78N2O2
Molecular Weight1603.98 g/mol
Exact Mass1602.61
IUPAC NameN,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc5ccccc5c34)cc2)cc1
InChIInChI=1S/C62H39NO.C60H39NO/c1-2-15-40(16-3-1)58-39-45-19-6-9-22-50(45)60-55-27-14-28-59(61(55)64-62(58)60)63(46-33-29-41(30-34-46)56-37-43-17-4-7-20-48(43)51-23-10-12-25-53(51)56)47-35-31-42(32-36-47)57-38-44-18-5-8-21-49(44)52-24-11-13-26-54(52)57;1-3-14-40(15-4-1)42-30-34-48(35-31-42)61(49-36-32-43(33-37-49)41-16-5-2-6-17-41)57-25-13-24-54-58-51-21-10-8-19-47(51)39-56(60(58)62-59(54)57)45-28-26-44(27-29-45)55-38-46-18-7-9-20-50(46)52-22-11-12-23-53(52)55/h1-39H;1-39H
InChIKeyFTMJSCWUOHEOPP-UHFFFAOYSA-N
XLogP35.01
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001603.98
LogP ≤ 535.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 163563818) is N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is FTMJSCWUOHEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO.C60H39NO/c1-2-15-40(16-3-1)58-39-45-19-6-9-22-50(45)60-55-27-14-28-59(61(55)64-62(58)60)63(46-33-29-41(30-34-46)56-37-43-17-4-7-20-48(43)51-23-10-12-25-53(51)56)47-35-31-42(32-36-47)57-38-44-18-5-8-21-49(44)52-24-11-13-26-54(52)57;1-3-14-40(15-4-1)42-30-34-48(35-31-42)61(49-36-32-43(33-37-49)41-16-5-2-6-17-41)57-25-13-24-54-58-51-21-10-8-19-47(51)39-56(60(58)62-59(54)57)45-28-26-44(27-29-45)55-38-46-18-7-9-20-50(46)52-22-11-12-23-53(52)55/h1-39H;1-39H.
What are the key properties of N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 1603.98 g/mol, XLogP of 35.01, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenanthren-9-ylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine;6-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 163563818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).